6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

C42H26N6O — CID 154646963

IUPAC6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6oc5n43)n2)cc1
InChIInChI=1S/C42H26N6O/c1-4-14-27(15-5-1)38-44-39(28-16-6-2-7-17-28)46-40(45-38)32-21-11-10-20-31(32)29-24-25-35-34(26-29)43-42-47(30-18-8-3-9-19-30)37-33-22-12-13-23-36(33)49-41(37)48(35)42/h1-26H
InChIKeyOGKJGDOSMRFMNU-UHFFFAOYSA-N
MW630.71 g/mol
LogP10.03
Rot. Bonds5

About 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (PubChem CID 154646963) has the molecular formula C42H26N6O and a molecular weight of 630.71 g/mol. Its IUPAC name is 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.

Molecular Properties

Compound Name6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
PubChem CID154646963
Molecular FormulaC42H26N6O
Molecular Weight630.71 g/mol
Exact Mass630.22
IUPAC Name6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6oc5n43)n2)cc1
InChIInChI=1S/C42H26N6O/c1-4-14-27(15-5-1)38-44-39(28-16-6-2-7-17-28)46-40(45-38)32-21-11-10-20-31(32)29-24-25-35-34(26-29)43-42-47(30-18-8-3-9-19-30)37-33-22-12-13-23-36(33)49-41(37)48(35)42/h1-26H
InChIKeyOGKJGDOSMRFMNU-UHFFFAOYSA-N
XLogP10.03
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene with MolForge

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Related Compounds

16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14(19),15,17-octaene
CID 154646603
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646924
9-(11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaen-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 155006206
11-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaen-6-amine
CID 154646652
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 164745048
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[4-dibenzofuran-2-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280120
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 155005967
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 154646495

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The IUPAC name of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (CID 154646963) is 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.
What is the SMILES notation for 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The canonical SMILES for 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)nc3n(-c5ccccc5)c5c6ccccc6oc5n43)n2)cc1.
What is the InChIKey of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The InChIKey is OGKJGDOSMRFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6O/c1-4-14-27(15-5-1)38-44-39(28-16-6-2-7-17-28)46-40(45-38)32-21-11-10-20-31(32)29-24-25-35-34(26-29)43-42-47(30-18-8-3-9-19-30)37-33-22-12-13-23-36(33)49-41(37)48(35)42/h1-26H.
What are the key properties of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene has a molecular weight of 630.71 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is sourced from PubChem (CID 154646963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).